1-(2-cyanoethyl)piperidine-4-carboxamide

C9H15N3O — CID 2821927

IUPAC1-(2-cyanoethyl)piperidine-4-carboxamide
SMILESN#CCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C9H15N3O/c10-4-1-5-12-6-2-8(3-7-12)9(11)13/h8H,1-3,5-7H2,(H2,11,13)
InChIKeyYJIAYKLZBFWDPU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.10
Rot. Bonds3

About 1-(2-cyanoethyl)piperidine-4-carboxamide

1-(2-cyanoethyl)piperidine-4-carboxamide (PubChem CID 2821927) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2-cyanoethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)piperidine-4-carboxamide
PubChem CID2821927
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(2-cyanoethyl)piperidine-4-carboxamide
SMILESN#CCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C9H15N3O/c10-4-1-5-12-6-2-8(3-7-12)9(11)13/h8H,1-3,5-7H2,(H2,11,13)
InChIKeyYJIAYKLZBFWDPU-UHFFFAOYSA-N
XLogP0.10
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)piperidine-4-carboxamide (CID 2821927) is 1-(2-cyanoethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)piperidine-4-carboxamide is N#CCCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-cyanoethyl)piperidine-4-carboxamide?
The InChIKey is YJIAYKLZBFWDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-4-1-5-12-6-2-8(3-7-12)9(11)13/h8H,1-3,5-7H2,(H2,11,13).
What are the key properties of 1-(2-cyanoethyl)piperidine-4-carboxamide?
1-(2-cyanoethyl)piperidine-4-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2821927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).